USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 316 hydrogens (8 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 210 SEP H2 : B 210 SEP N : B 209 SER C :(H bumps) USER MOD NoAdj-H: B 214 SEP H2 : B 214 SEP N : B 213 GLY C :(H bumps) USER MOD Set 1.1: A 261 THR OG1 : rot -151:sc= 1.16 USER MOD Set 1.2: A 263 HIS :FLIP no HD1:sc= -1.87! F(o=-1.7,f=-0.71!) USER MOD Set 2.1: A 254 HIS :FLIP no HD1:sc= -1.33 F(o=-3.9,f=-1.3) USER MOD Set 2.2: A 256 GLN : amide:sc= 0 K(o=-1.3,f=-4.2) USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 244 THR OG1 : rot 180:sc= -0.711 USER MOD Single : A 245 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 247 GLN : amide:sc= 1.09 K(o=1.1,f=0.014) USER MOD Single : A 249 GLN :FLIP amide:sc= -1.1 F(o=-2.2!,f=-1.1) USER MOD Single : A 251 TYR OH : rot -127:sc= 1.26 USER MOD Single : A 255 THR OG1 : rot 180:sc= 0 USER MOD Single : A 257 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 SER OG : rot 45:sc= 0.0617 USER MOD Single : B 208 THR OG1 : rot 30:sc= 0.402 USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD Single : B 217 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 235 9.826 7.804 2.230 1.00 15.00 N ATOM 2 CA GLU A 235 10.730 6.821 1.595 1.00 15.00 C ATOM 3 C GLU A 235 10.455 5.422 2.131 1.00 15.00 C ATOM 4 O GLU A 235 10.363 5.227 3.341 1.00 15.00 O ATOM 5 CB GLU A 235 12.185 7.196 1.866 1.00 15.00 C ATOM 6 CG GLU A 235 13.177 6.374 1.061 1.00 15.00 C ATOM 7 CD GLU A 235 12.981 6.551 -0.430 1.00 15.00 C ATOM 8 OE1 GLU A 235 13.788 7.273 -1.053 1.00 15.00 O ATOM 9 OE2 GLU A 235 12.013 5.989 -0.979 1.00 15.00 O1- ATOM 0 HA GLU A 235 10.549 6.830 0.520 1.00 15.00 H new ATOM 0 HB2 GLU A 235 12.329 8.252 1.638 1.00 15.00 H new ATOM 0 HB3 GLU A 235 12.394 7.068 2.928 1.00 15.00 H new ATOM 0 HG2 GLU A 235 14.192 6.665 1.330 1.00 15.00 H new ATOM 0 HG3 GLU A 235 13.068 5.320 1.319 1.00 15.00 H new ATOM 16 N LEU A 236 10.344 4.450 1.231 1.00 15.00 N ATOM 17 CA LEU A 236 10.096 3.064 1.622 1.00 15.00 C ATOM 18 C LEU A 236 11.222 2.183 1.095 1.00 15.00 C ATOM 19 O LEU A 236 12.099 2.658 0.374 1.00 15.00 O ATOM 20 CB LEU A 236 8.754 2.528 1.064 1.00 15.00 C ATOM 21 CG LEU A 236 7.493 3.367 1.327 1.00 15.00 C ATOM 22 CD1 LEU A 236 7.402 3.778 2.785 1.00 15.00 C ATOM 23 CD2 LEU A 236 7.437 4.580 0.413 1.00 15.00 C ATOM 0 H LEU A 236 10.422 4.595 0.224 1.00 15.00 H new ATOM 0 HA LEU A 236 10.049 3.037 2.711 1.00 15.00 H new ATOM 0 HB2 LEU A 236 8.861 2.409 -0.014 1.00 15.00 H new ATOM 0 HB3 LEU A 236 8.590 1.534 1.479 1.00 15.00 H new ATOM 0 HG LEU A 236 6.629 2.742 1.102 1.00 15.00 H new ATOM 0 HD11 LEU A 236 6.500 4.370 2.941 1.00 15.00 H new ATOM 0 HD12 LEU A 236 7.364 2.887 3.412 1.00 15.00 H new ATOM 0 HD13 LEU A 236 8.276 4.372 3.051 1.00 15.00 H new ATOM 0 HD21 LEU A 236 6.534 5.153 0.623 1.00 15.00 H new ATOM 0 HD22 LEU A 236 8.312 5.206 0.585 1.00 15.00 H new ATOM 0 HD23 LEU A 236 7.425 4.252 -0.626 1.00 15.00 H new ATOM 35 N PRO A 237 11.230 0.896 1.467 1.00 15.00 N ATOM 36 CA PRO A 237 12.059 -0.103 0.791 1.00 15.00 C ATOM 37 C PRO A 237 11.540 -0.371 -0.614 1.00 15.00 C ATOM 38 O PRO A 237 10.371 -0.130 -0.920 1.00 15.00 O ATOM 39 CB PRO A 237 11.912 -1.358 1.664 1.00 15.00 C ATOM 40 CG PRO A 237 11.351 -0.880 2.960 1.00 15.00 C ATOM 41 CD PRO A 237 10.540 0.342 2.642 1.00 15.00 C ATOM 0 HA PRO A 237 13.095 0.218 0.681 1.00 15.00 H new ATOM 0 HB2 PRO A 237 11.251 -2.087 1.195 1.00 15.00 H new ATOM 0 HB3 PRO A 237 12.874 -1.849 1.810 1.00 15.00 H new ATOM 0 HG2 PRO A 237 10.732 -1.648 3.423 1.00 15.00 H new ATOM 0 HG3 PRO A 237 12.148 -0.645 3.666 1.00 15.00 H new ATOM 0 HD2 PRO A 237 9.502 0.092 2.421 1.00 15.00 H new ATOM 0 HD3 PRO A 237 10.528 1.047 3.473 1.00 15.00 H new ATOM 49 N GLU A 238 12.413 -0.899 -1.444 1.00 15.00 N ATOM 50 CA GLU A 238 12.126 -1.057 -2.863 1.00 15.00 C ATOM 51 C GLU A 238 11.069 -2.134 -3.088 1.00 15.00 C ATOM 52 O GLU A 238 11.224 -3.276 -2.656 1.00 15.00 O ATOM 53 CB GLU A 238 13.407 -1.431 -3.613 1.00 15.00 C ATOM 54 CG GLU A 238 13.270 -1.390 -5.126 1.00 15.00 C ATOM 55 CD GLU A 238 13.026 0.011 -5.645 1.00 15.00 C ATOM 56 OE1 GLU A 238 11.872 0.328 -6.004 1.00 15.00 O ATOM 57 OE2 GLU A 238 13.988 0.804 -5.690 1.00 15.00 O1- ATOM 0 H GLU A 238 13.336 -1.230 -1.163 1.00 15.00 H new ATOM 0 HA GLU A 238 11.742 -0.110 -3.242 1.00 15.00 H new ATOM 0 HB2 GLU A 238 14.204 -0.751 -3.312 1.00 15.00 H new ATOM 0 HB3 GLU A 238 13.712 -2.433 -3.313 1.00 15.00 H new ATOM 0 HG2 GLU A 238 14.176 -1.791 -5.581 1.00 15.00 H new ATOM 0 HG3 GLU A 238 12.447 -2.036 -5.431 1.00 15.00 H new ATOM 64 N GLY A 239 9.992 -1.753 -3.762 1.00 15.00 N ATOM 65 CA GLY A 239 8.941 -2.698 -4.062 1.00 15.00 C ATOM 66 C GLY A 239 7.569 -2.202 -3.651 1.00 15.00 C ATOM 67 O GLY A 239 6.557 -2.773 -4.054 1.00 15.00 O ATOM 0 H GLY A 239 9.830 -0.806 -4.105 1.00 15.00 H new ATOM 0 HA2 GLY A 239 8.941 -2.907 -5.132 1.00 15.00 H new ATOM 0 HA3 GLY A 239 9.149 -3.639 -3.553 1.00 15.00 H new ATOM 71 N TYR A 240 7.528 -1.158 -2.833 1.00 15.00 N ATOM 72 CA TYR A 240 6.261 -0.589 -2.395 1.00 15.00 C ATOM 73 C TYR A 240 5.866 0.572 -3.291 1.00 15.00 C ATOM 74 O TYR A 240 6.670 1.468 -3.550 1.00 15.00 O ATOM 75 CB TYR A 240 6.346 -0.063 -0.955 1.00 15.00 C ATOM 76 CG TYR A 240 6.717 -1.093 0.081 1.00 15.00 C ATOM 77 CD1 TYR A 240 8.003 -1.154 0.587 1.00 15.00 C ATOM 78 CD2 TYR A 240 5.782 -1.998 0.559 1.00 15.00 C ATOM 79 CE1 TYR A 240 8.353 -2.088 1.535 1.00 15.00 C ATOM 80 CE2 TYR A 240 6.122 -2.940 1.511 1.00 15.00 C ATOM 81 CZ TYR A 240 7.410 -2.982 1.996 1.00 15.00 C ATOM 82 OH TYR A 240 7.751 -3.917 2.945 1.00 15.00 O ATOM 0 H TYR A 240 8.354 -0.690 -2.461 1.00 15.00 H new ATOM 0 HA TYR A 240 5.520 -1.387 -2.448 1.00 15.00 H new ATOM 0 HB2 TYR A 240 7.079 0.743 -0.922 1.00 15.00 H new ATOM 0 HB3 TYR A 240 5.383 0.370 -0.685 1.00 15.00 H new ATOM 0 HD1 TYR A 240 8.746 -0.456 0.231 1.00 15.00 H new ATOM 0 HD2 TYR A 240 4.771 -1.966 0.181 1.00 15.00 H new ATOM 0 HE1 TYR A 240 9.363 -2.121 1.917 1.00 15.00 H new ATOM 0 HE2 TYR A 240 5.382 -3.639 1.872 1.00 15.00 H new ATOM 0 HH TYR A 240 6.968 -4.467 3.159 1.00 15.00 H new ATOM 92 N GLU A 241 4.632 0.561 -3.750 1.00 15.00 N ATOM 93 CA GLU A 241 4.069 1.723 -4.402 1.00 15.00 C ATOM 94 C GLU A 241 3.248 2.498 -3.380 1.00 15.00 C ATOM 95 O GLU A 241 2.432 1.919 -2.654 1.00 15.00 O ATOM 96 CB GLU A 241 3.206 1.320 -5.610 1.00 15.00 C ATOM 97 CG GLU A 241 1.972 0.494 -5.267 1.00 15.00 C ATOM 98 CD GLU A 241 1.161 0.135 -6.496 1.00 15.00 C ATOM 99 OE1 GLU A 241 1.479 -0.887 -7.138 1.00 15.00 O ATOM 100 OE2 GLU A 241 0.215 0.881 -6.834 1.00 15.00 O1- ATOM 0 H GLU A 241 4.002 -0.238 -3.684 1.00 15.00 H new ATOM 0 HA GLU A 241 4.873 2.352 -4.783 1.00 15.00 H new ATOM 0 HB2 GLU A 241 2.888 2.224 -6.129 1.00 15.00 H new ATOM 0 HB3 GLU A 241 3.823 0.753 -6.307 1.00 15.00 H new ATOM 0 HG2 GLU A 241 2.279 -0.419 -4.757 1.00 15.00 H new ATOM 0 HG3 GLU A 241 1.346 1.052 -4.571 1.00 15.00 H new ATOM 107 N GLN A 242 3.466 3.800 -3.307 1.00 15.00 N ATOM 108 CA GLN A 242 2.705 4.623 -2.392 1.00 15.00 C ATOM 109 C GLN A 242 1.466 5.112 -3.103 1.00 15.00 C ATOM 110 O GLN A 242 1.506 6.059 -3.892 1.00 15.00 O ATOM 111 CB GLN A 242 3.527 5.796 -1.866 1.00 15.00 C ATOM 112 CG GLN A 242 2.764 6.648 -0.867 1.00 15.00 C ATOM 113 CD GLN A 242 3.630 7.699 -0.202 1.00 15.00 C ATOM 114 OE1 GLN A 242 4.596 8.193 -0.783 1.00 15.00 O ATOM 115 NE2 GLN A 242 3.287 8.047 1.027 1.00 15.00 N ATOM 0 H GLN A 242 4.156 4.303 -3.865 1.00 15.00 H new ATOM 0 HA GLN A 242 2.426 4.024 -1.525 1.00 15.00 H new ATOM 0 HB2 GLN A 242 4.434 5.416 -1.395 1.00 15.00 H new ATOM 0 HB3 GLN A 242 3.840 6.419 -2.704 1.00 15.00 H new ATOM 0 HG2 GLN A 242 1.933 7.138 -1.375 1.00 15.00 H new ATOM 0 HG3 GLN A 242 2.333 6.003 -0.102 1.00 15.00 H new ATOM 0 HE21 GLN A 242 2.479 7.613 1.473 1.00 15.00 H new ATOM 0 HE22 GLN A 242 3.831 8.749 1.529 1.00 15.00 H new ATOM 124 N ARG A 243 0.370 4.433 -2.841 1.00 15.00 N ATOM 125 CA ARG A 243 -0.836 4.617 -3.611 1.00 15.00 C ATOM 126 C ARG A 243 -1.885 5.374 -2.822 1.00 15.00 C ATOM 127 O ARG A 243 -2.337 4.933 -1.766 1.00 15.00 O ATOM 128 CB ARG A 243 -1.372 3.263 -4.068 1.00 15.00 C ATOM 129 CG ARG A 243 -2.520 3.375 -5.046 1.00 15.00 C ATOM 130 CD ARG A 243 -2.661 2.114 -5.873 1.00 15.00 C ATOM 131 NE ARG A 243 -3.556 2.314 -7.005 1.00 15.00 N ATOM 132 CZ ARG A 243 -3.193 2.136 -8.270 1.00 15.00 C ATOM 133 NH1 ARG A 243 -1.995 1.653 -8.559 1.00 15.00 N1+ ATOM 134 NH2 ARG A 243 -4.044 2.404 -9.249 1.00 15.00 N ATOM 0 H ARG A 243 0.292 3.743 -2.094 1.00 15.00 H new ATOM 0 HA ARG A 243 -0.595 5.216 -4.489 1.00 15.00 H new ATOM 0 HB2 ARG A 243 -0.563 2.697 -4.530 1.00 15.00 H new ATOM 0 HB3 ARG A 243 -1.700 2.697 -3.196 1.00 15.00 H new ATOM 0 HG2 ARG A 243 -3.446 3.562 -4.503 1.00 15.00 H new ATOM 0 HG3 ARG A 243 -2.358 4.228 -5.704 1.00 15.00 H new ATOM 0 HD2 ARG A 243 -1.681 1.803 -6.234 1.00 15.00 H new ATOM 0 HD3 ARG A 243 -3.041 1.307 -5.246 1.00 15.00 H new ATOM 0 HE ARG A 243 -4.514 2.607 -6.815 1.00 15.00 H new ATOM 0 HH11 ARG A 243 -1.346 1.416 -7.809 1.00 15.00 H new ATOM 0 HH12 ARG A 243 -1.721 1.518 -9.532 1.00 15.00 H new ATOM 0 HH21 ARG A 243 -4.979 2.748 -9.032 1.00 15.00 H new ATOM 0 HH22 ARG A 243 -3.764 2.267 -10.220 1.00 15.00 H new ATOM 148 N THR A 244 -2.263 6.517 -3.356 1.00 15.00 N ATOM 149 CA THR A 244 -3.260 7.364 -2.745 1.00 15.00 C ATOM 150 C THR A 244 -4.472 7.454 -3.658 1.00 15.00 C ATOM 151 O THR A 244 -4.400 8.033 -4.744 1.00 15.00 O ATOM 152 CB THR A 244 -2.704 8.779 -2.493 1.00 15.00 C ATOM 153 OG1 THR A 244 -1.425 8.693 -1.851 1.00 15.00 O ATOM 154 CG2 THR A 244 -3.654 9.598 -1.631 1.00 15.00 C ATOM 0 H THR A 244 -1.885 6.884 -4.229 1.00 15.00 H new ATOM 0 HA THR A 244 -3.543 6.929 -1.787 1.00 15.00 H new ATOM 0 HB THR A 244 -2.599 9.277 -3.457 1.00 15.00 H new ATOM 0 HG1 THR A 244 -1.076 9.595 -1.695 1.00 15.00 H new ATOM 0 HG21 THR A 244 -3.235 10.591 -1.470 1.00 15.00 H new ATOM 0 HG22 THR A 244 -4.617 9.687 -2.134 1.00 15.00 H new ATOM 0 HG23 THR A 244 -3.792 9.103 -0.670 1.00 15.00 H new ATOM 162 N THR A 245 -5.570 6.865 -3.231 1.00 15.00 N ATOM 163 CA THR A 245 -6.793 6.890 -4.007 1.00 15.00 C ATOM 164 C THR A 245 -7.620 8.113 -3.628 1.00 15.00 C ATOM 165 O THR A 245 -7.518 8.603 -2.502 1.00 15.00 O ATOM 166 CB THR A 245 -7.612 5.584 -3.824 1.00 15.00 C ATOM 167 OG1 THR A 245 -8.955 5.751 -4.291 1.00 15.00 O ATOM 168 CG2 THR A 245 -7.639 5.123 -2.373 1.00 15.00 C ATOM 0 H THR A 245 -5.641 6.361 -2.347 1.00 15.00 H new ATOM 0 HA THR A 245 -6.529 6.956 -5.062 1.00 15.00 H new ATOM 0 HB THR A 245 -7.112 4.819 -4.418 1.00 15.00 H new ATOM 0 HG1 THR A 245 -9.451 4.915 -4.167 1.00 15.00 H new ATOM 0 HG21 THR A 245 -8.223 4.206 -2.293 1.00 15.00 H new ATOM 0 HG22 THR A 245 -6.621 4.935 -2.032 1.00 15.00 H new ATOM 0 HG23 THR A 245 -8.092 5.897 -1.754 1.00 15.00 H new ATOM 176 N VAL A 246 -8.395 8.627 -4.588 1.00 15.00 N ATOM 177 CA VAL A 246 -9.261 9.796 -4.373 1.00 15.00 C ATOM 178 C VAL A 246 -10.146 9.620 -3.140 1.00 15.00 C ATOM 179 O VAL A 246 -10.660 10.589 -2.574 1.00 15.00 O ATOM 180 CB VAL A 246 -10.154 10.061 -5.600 1.00 15.00 C ATOM 181 CG1 VAL A 246 -9.318 10.536 -6.777 1.00 15.00 C ATOM 182 CG2 VAL A 246 -10.943 8.814 -5.973 1.00 15.00 C ATOM 0 H VAL A 246 -8.442 8.248 -5.534 1.00 15.00 H new ATOM 0 HA VAL A 246 -8.602 10.650 -4.216 1.00 15.00 H new ATOM 0 HB VAL A 246 -10.863 10.848 -5.341 1.00 15.00 H new ATOM 0 HG11 VAL A 246 -9.966 10.718 -7.634 1.00 15.00 H new ATOM 0 HG12 VAL A 246 -8.804 11.459 -6.509 1.00 15.00 H new ATOM 0 HG13 VAL A 246 -8.584 9.772 -7.033 1.00 15.00 H new ATOM 0 HG21 VAL A 246 -11.567 9.024 -6.842 1.00 15.00 H new ATOM 0 HG22 VAL A 246 -10.253 8.004 -6.209 1.00 15.00 H new ATOM 0 HG23 VAL A 246 -11.575 8.519 -5.135 1.00 15.00 H new ATOM 192 N GLN A 247 -10.316 8.365 -2.762 1.00 15.00 N ATOM 193 CA GLN A 247 -10.945 7.970 -1.509 1.00 15.00 C ATOM 194 C GLN A 247 -10.411 8.790 -0.326 1.00 15.00 C ATOM 195 O GLN A 247 -11.154 9.132 0.593 1.00 15.00 O ATOM 196 CB GLN A 247 -10.653 6.488 -1.301 1.00 15.00 C ATOM 197 CG GLN A 247 -11.022 5.931 0.055 1.00 15.00 C ATOM 198 CD GLN A 247 -12.520 5.819 0.268 1.00 15.00 C ATOM 199 OE1 GLN A 247 -13.175 6.768 0.705 1.00 15.00 O ATOM 200 NE2 GLN A 247 -13.065 4.648 0.001 1.00 15.00 N ATOM 0 H GLN A 247 -10.014 7.573 -3.329 1.00 15.00 H new ATOM 0 HA GLN A 247 -12.018 8.154 -1.561 1.00 15.00 H new ATOM 0 HB2 GLN A 247 -11.187 5.921 -2.064 1.00 15.00 H new ATOM 0 HB3 GLN A 247 -9.589 6.320 -1.465 1.00 15.00 H new ATOM 0 HG2 GLN A 247 -10.570 4.946 0.171 1.00 15.00 H new ATOM 0 HG3 GLN A 247 -10.598 6.569 0.830 1.00 15.00 H new ATOM 0 HE21 GLN A 247 -12.489 3.888 -0.360 1.00 15.00 H new ATOM 0 HE22 GLN A 247 -14.063 4.503 0.155 1.00 15.00 H new ATOM 209 N GLY A 248 -9.116 9.089 -0.352 1.00 15.00 N ATOM 210 CA GLY A 248 -8.519 9.905 0.688 1.00 15.00 C ATOM 211 C GLY A 248 -7.564 9.121 1.566 1.00 15.00 C ATOM 212 O GLY A 248 -6.853 9.698 2.385 1.00 15.00 O ATOM 0 H GLY A 248 -8.469 8.780 -1.077 1.00 15.00 H new ATOM 0 HA2 GLY A 248 -7.985 10.738 0.230 1.00 15.00 H new ATOM 0 HA3 GLY A 248 -9.308 10.333 1.307 1.00 15.00 H new ATOM 216 N GLN A 249 -7.542 7.806 1.395 1.00 15.00 N ATOM 217 CA GLN A 249 -6.707 6.945 2.223 1.00 15.00 C ATOM 218 C GLN A 249 -5.594 6.324 1.392 1.00 15.00 C ATOM 219 O GLN A 249 -5.791 5.986 0.223 1.00 15.00 O ATOM 220 CB GLN A 249 -7.561 5.857 2.880 1.00 15.00 C ATOM 221 CG GLN A 249 -8.772 6.414 3.567 1.00 15.00 C ATOM 222 CD GLN A 249 -9.826 5.399 3.950 1.00 15.00 C ATOM 223 OE1 GLN A 249 -10.080 4.434 3.093 1.00 15.00 O flip ATOM 224 NE2 GLN A 249 -10.459 5.524 4.999 1.00 15.00 N flip ATOM 0 H GLN A 249 -8.092 7.312 0.692 1.00 15.00 H new ATOM 0 HA GLN A 249 -6.250 7.549 3.007 1.00 15.00 H new ATOM 0 HB2 GLN A 249 -7.875 5.139 2.122 1.00 15.00 H new ATOM 0 HB3 GLN A 249 -6.955 5.312 3.604 1.00 15.00 H new ATOM 0 HG2 GLN A 249 -8.450 6.935 4.468 1.00 15.00 H new ATOM 0 HG3 GLN A 249 -9.229 7.158 2.914 1.00 15.00 H new ATOM 0 HE21 GLN A 249 -10.236 6.284 5.642 1.00 15.00 H new ATOM 0 HE22 GLN A 249 -11.206 4.867 5.225 1.00 15.00 H new ATOM 233 N VAL A 250 -4.426 6.179 1.999 1.00 15.00 N ATOM 234 CA VAL A 250 -3.276 5.606 1.315 1.00 15.00 C ATOM 235 C VAL A 250 -3.131 4.124 1.648 1.00 15.00 C ATOM 236 O VAL A 250 -3.264 3.721 2.805 1.00 15.00 O ATOM 237 CB VAL A 250 -1.965 6.349 1.677 1.00 15.00 C ATOM 238 CG1 VAL A 250 -2.021 7.795 1.214 1.00 15.00 C ATOM 239 CG2 VAL A 250 -1.697 6.290 3.177 1.00 15.00 C ATOM 0 H VAL A 250 -4.249 6.451 2.966 1.00 15.00 H new ATOM 0 HA VAL A 250 -3.451 5.720 0.245 1.00 15.00 H new ATOM 0 HB VAL A 250 -1.146 5.847 1.161 1.00 15.00 H new ATOM 0 HG11 VAL A 250 -1.091 8.298 1.478 1.00 15.00 H new ATOM 0 HG12 VAL A 250 -2.156 7.826 0.133 1.00 15.00 H new ATOM 0 HG13 VAL A 250 -2.857 8.300 1.698 1.00 15.00 H new ATOM 0 HG21 VAL A 250 -0.771 6.819 3.402 1.00 15.00 H new ATOM 0 HG22 VAL A 250 -2.522 6.759 3.713 1.00 15.00 H new ATOM 0 HG23 VAL A 250 -1.606 5.250 3.490 1.00 15.00 H new ATOM 249 N TYR A 251 -2.883 3.315 0.633 1.00 15.00 N ATOM 250 CA TYR A 251 -2.630 1.902 0.844 1.00 15.00 C ATOM 251 C TYR A 251 -1.315 1.504 0.177 1.00 15.00 C ATOM 252 O TYR A 251 -1.111 1.742 -1.014 1.00 15.00 O ATOM 253 CB TYR A 251 -3.825 1.031 0.378 1.00 15.00 C ATOM 254 CG TYR A 251 -4.291 1.203 -1.064 1.00 15.00 C ATOM 255 CD1 TYR A 251 -5.064 2.294 -1.459 1.00 15.00 C ATOM 256 CD2 TYR A 251 -4.001 0.238 -2.029 1.00 15.00 C ATOM 257 CE1 TYR A 251 -5.515 2.406 -2.761 1.00 15.00 C ATOM 258 CE2 TYR A 251 -4.440 0.345 -3.313 1.00 15.00 C ATOM 259 CZ TYR A 251 -5.203 1.432 -3.683 1.00 15.00 C ATOM 260 OH TYR A 251 -5.649 1.559 -4.975 1.00 15.00 O ATOM 0 H TYR A 251 -2.852 3.612 -0.342 1.00 15.00 H new ATOM 0 HA TYR A 251 -2.528 1.718 1.914 1.00 15.00 H new ATOM 0 HB2 TYR A 251 -3.558 -0.016 0.524 1.00 15.00 H new ATOM 0 HB3 TYR A 251 -4.671 1.239 1.034 1.00 15.00 H new ATOM 0 HD1 TYR A 251 -5.313 3.060 -0.740 1.00 15.00 H new ATOM 0 HD2 TYR A 251 -3.410 -0.621 -1.748 1.00 15.00 H new ATOM 0 HE1 TYR A 251 -6.112 3.257 -3.055 1.00 15.00 H new ATOM 0 HE2 TYR A 251 -4.192 -0.417 -4.037 1.00 15.00 H new ATOM 0 HH TYR A 251 -6.127 0.745 -5.238 1.00 15.00 H new ATOM 270 N PHE A 252 -0.423 0.911 0.967 1.00 15.00 N ATOM 271 CA PHE A 252 0.924 0.585 0.507 1.00 15.00 C ATOM 272 C PHE A 252 0.971 -0.794 -0.103 1.00 15.00 C ATOM 273 O PHE A 252 0.833 -1.798 0.601 1.00 15.00 O ATOM 274 CB PHE A 252 1.933 0.652 1.656 1.00 15.00 C ATOM 275 CG PHE A 252 2.394 2.050 1.959 1.00 15.00 C ATOM 276 CD1 PHE A 252 2.222 2.605 3.220 1.00 15.00 C ATOM 277 CD2 PHE A 252 2.981 2.818 0.970 1.00 15.00 C ATOM 278 CE1 PHE A 252 2.629 3.899 3.482 1.00 15.00 C ATOM 279 CE2 PHE A 252 3.394 4.109 1.230 1.00 15.00 C ATOM 280 CZ PHE A 252 3.217 4.651 2.486 1.00 15.00 C ATOM 0 H PHE A 252 -0.611 0.645 1.934 1.00 15.00 H new ATOM 0 HA PHE A 252 1.189 1.324 -0.249 1.00 15.00 H new ATOM 0 HB2 PHE A 252 1.483 0.223 2.551 1.00 15.00 H new ATOM 0 HB3 PHE A 252 2.798 0.037 1.408 1.00 15.00 H new ATOM 0 HD1 PHE A 252 1.765 2.019 4.004 1.00 15.00 H new ATOM 0 HD2 PHE A 252 3.118 2.403 -0.017 1.00 15.00 H new ATOM 0 HE1 PHE A 252 2.487 4.322 4.466 1.00 15.00 H new ATOM 0 HE2 PHE A 252 3.856 4.695 0.450 1.00 15.00 H new ATOM 0 HZ PHE A 252 3.538 5.662 2.689 1.00 15.00 H new ATOM 290 N LEU A 253 1.148 -0.844 -1.414 1.00 15.00 N ATOM 291 CA LEU A 253 1.202 -2.111 -2.116 1.00 15.00 C ATOM 292 C LEU A 253 2.585 -2.503 -2.571 1.00 15.00 C ATOM 293 O LEU A 253 3.319 -1.742 -3.196 1.00 15.00 O ATOM 294 CB LEU A 253 0.178 -2.198 -3.253 1.00 15.00 C ATOM 295 CG LEU A 253 -1.157 -2.788 -2.821 1.00 15.00 C ATOM 296 CD1 LEU A 253 -1.103 -4.293 -3.011 1.00 15.00 C ATOM 297 CD2 LEU A 253 -1.437 -2.424 -1.374 1.00 15.00 C ATOM 0 H LEU A 253 1.256 -0.023 -2.010 1.00 15.00 H new ATOM 0 HA LEU A 253 0.920 -2.854 -1.370 1.00 15.00 H new ATOM 0 HB2 LEU A 253 0.011 -1.200 -3.659 1.00 15.00 H new ATOM 0 HB3 LEU A 253 0.591 -2.805 -4.059 1.00 15.00 H new ATOM 0 HG LEU A 253 -1.968 -2.383 -3.427 1.00 15.00 H new ATOM 0 HD11 LEU A 253 -2.053 -4.733 -2.706 1.00 15.00 H new ATOM 0 HD12 LEU A 253 -0.918 -4.521 -4.061 1.00 15.00 H new ATOM 0 HD13 LEU A 253 -0.299 -4.708 -2.403 1.00 15.00 H new ATOM 0 HD21 LEU A 253 -2.394 -2.849 -1.070 1.00 15.00 H new ATOM 0 HD22 LEU A 253 -0.645 -2.822 -0.739 1.00 15.00 H new ATOM 0 HD23 LEU A 253 -1.473 -1.339 -1.272 1.00 15.00 H new ATOM 309 N HIS A 254 2.896 -3.738 -2.247 1.00 15.00 N ATOM 310 CA HIS A 254 4.154 -4.366 -2.573 1.00 15.00 C ATOM 311 C HIS A 254 3.869 -5.794 -2.945 1.00 15.00 C ATOM 312 O HIS A 254 3.752 -6.646 -2.059 1.00 15.00 O ATOM 313 CB HIS A 254 5.100 -4.344 -1.362 1.00 15.00 C ATOM 314 CG HIS A 254 6.285 -5.273 -1.461 1.00 15.00 C ATOM 315 ND1 HIS A 254 7.401 -5.227 -2.226 1.00 15.00 N flip ATOM 316 CD2 HIS A 254 6.385 -6.431 -0.716 1.00 15.00 C flip ATOM 317 CE1 HIS A 254 8.143 -6.347 -1.936 1.00 15.00 C flip ATOM 318 NE2 HIS A 254 7.507 -7.058 -1.022 1.00 15.00 N flip ATOM 0 H HIS A 254 2.261 -4.350 -1.734 1.00 15.00 H new ATOM 0 HA HIS A 254 4.631 -3.830 -3.393 1.00 15.00 H new ATOM 0 HB2 HIS A 254 5.466 -3.326 -1.224 1.00 15.00 H new ATOM 0 HB3 HIS A 254 4.529 -4.601 -0.470 1.00 15.00 H new ATOM 0 HD2 HIS A 254 5.658 -6.772 0.006 1.00 15.00 H new ATOM 0 HE1 HIS A 254 9.092 -6.604 -2.383 1.00 15.00 H new ATOM 0 HE2 HIS A 254 7.827 -7.940 -0.621 1.00 15.00 H new ATOM 327 N THR A 255 3.693 -6.096 -4.209 1.00 15.00 N ATOM 328 CA THR A 255 3.444 -7.479 -4.496 1.00 15.00 C ATOM 329 C THR A 255 4.744 -8.183 -4.835 1.00 15.00 C ATOM 330 O THR A 255 5.192 -8.232 -5.978 1.00 15.00 O ATOM 331 CB THR A 255 2.430 -7.630 -5.651 1.00 15.00 C ATOM 332 OG1 THR A 255 1.257 -6.863 -5.354 1.00 15.00 O ATOM 333 CG2 THR A 255 2.040 -9.085 -5.850 1.00 15.00 C ATOM 0 H THR A 255 3.715 -5.453 -5.001 1.00 15.00 H new ATOM 0 HA THR A 255 3.013 -7.942 -3.608 1.00 15.00 H new ATOM 0 HB THR A 255 2.896 -7.269 -6.568 1.00 15.00 H new ATOM 0 HG1 THR A 255 0.612 -6.955 -6.086 1.00 15.00 H new ATOM 0 HG21 THR A 255 1.325 -9.161 -6.669 1.00 15.00 H new ATOM 0 HG22 THR A 255 2.928 -9.671 -6.087 1.00 15.00 H new ATOM 0 HG23 THR A 255 1.586 -9.468 -4.936 1.00 15.00 H new ATOM 341 N GLN A 256 5.370 -8.655 -3.773 1.00 15.00 N ATOM 342 CA GLN A 256 6.223 -9.819 -3.773 1.00 15.00 C ATOM 343 C GLN A 256 5.397 -10.949 -3.196 1.00 15.00 C ATOM 344 O GLN A 256 5.249 -12.025 -3.767 1.00 15.00 O ATOM 345 CB GLN A 256 7.459 -9.563 -2.914 1.00 15.00 C ATOM 346 CG GLN A 256 8.571 -10.579 -3.074 1.00 15.00 C ATOM 347 CD GLN A 256 9.737 -10.292 -2.147 1.00 15.00 C ATOM 348 OE1 GLN A 256 9.961 -9.149 -1.754 1.00 15.00 O ATOM 349 NE2 GLN A 256 10.502 -11.315 -1.814 1.00 15.00 N ATOM 0 H GLN A 256 5.292 -8.219 -2.854 1.00 15.00 H new ATOM 0 HA GLN A 256 6.571 -10.061 -4.777 1.00 15.00 H new ATOM 0 HB2 GLN A 256 7.852 -8.575 -3.155 1.00 15.00 H new ATOM 0 HB3 GLN A 256 7.157 -9.539 -1.867 1.00 15.00 H new ATOM 0 HG2 GLN A 256 8.183 -11.577 -2.871 1.00 15.00 H new ATOM 0 HG3 GLN A 256 8.919 -10.577 -4.107 1.00 15.00 H new ATOM 0 HE21 GLN A 256 10.284 -12.249 -2.160 1.00 15.00 H new ATOM 0 HE22 GLN A 256 11.312 -11.171 -1.210 1.00 15.00 H new ATOM 358 N THR A 257 4.858 -10.635 -2.016 1.00 15.00 N ATOM 359 CA THR A 257 4.056 -11.545 -1.235 1.00 15.00 C ATOM 360 C THR A 257 2.659 -11.012 -1.056 1.00 15.00 C ATOM 361 O THR A 257 1.918 -11.355 -0.136 1.00 15.00 O ATOM 362 CB THR A 257 4.666 -11.716 0.132 1.00 15.00 C ATOM 363 OG1 THR A 257 4.825 -10.424 0.744 1.00 15.00 O ATOM 364 CG2 THR A 257 6.016 -12.409 0.066 1.00 15.00 C ATOM 0 H THR A 257 4.976 -9.721 -1.579 1.00 15.00 H new ATOM 0 HA THR A 257 4.020 -12.497 -1.765 1.00 15.00 H new ATOM 0 HB THR A 257 3.997 -12.341 0.723 1.00 15.00 H new ATOM 0 HG1 THR A 257 5.220 -10.530 1.635 1.00 15.00 H new ATOM 0 HG21 THR A 257 6.421 -12.513 1.072 1.00 15.00 H new ATOM 0 HG22 THR A 257 5.897 -13.396 -0.381 1.00 15.00 H new ATOM 0 HG23 THR A 257 6.700 -11.816 -0.541 1.00 15.00 H new ATOM 372 N GLY A 258 2.355 -10.210 -1.993 1.00 15.00 N ATOM 373 CA GLY A 258 1.103 -9.467 -2.040 1.00 15.00 C ATOM 374 C GLY A 258 0.826 -8.645 -0.784 1.00 15.00 C ATOM 375 O GLY A 258 -0.033 -9.010 0.019 1.00 15.00 O ATOM 0 H GLY A 258 2.968 -10.025 -2.787 1.00 15.00 H new ATOM 0 HA2 GLY A 258 1.119 -8.801 -2.903 1.00 15.00 H new ATOM 0 HA3 GLY A 258 0.282 -10.167 -2.193 1.00 15.00 H new ATOM 379 N VAL A 259 1.552 -7.540 -0.603 1.00 15.00 N ATOM 380 CA VAL A 259 1.288 -6.641 0.524 1.00 15.00 C ATOM 381 C VAL A 259 0.284 -5.572 0.172 1.00 15.00 C ATOM 382 O VAL A 259 0.552 -4.716 -0.661 1.00 15.00 O ATOM 383 CB VAL A 259 2.562 -5.955 1.078 1.00 15.00 C ATOM 384 CG1 VAL A 259 2.204 -4.843 2.056 1.00 15.00 C ATOM 385 CG2 VAL A 259 3.390 -6.994 1.781 1.00 15.00 C ATOM 0 H VAL A 259 2.317 -7.248 -1.212 1.00 15.00 H new ATOM 0 HA VAL A 259 0.882 -7.289 1.301 1.00 15.00 H new ATOM 0 HB VAL A 259 3.118 -5.511 0.252 1.00 15.00 H new ATOM 0 HG11 VAL A 259 3.117 -4.379 2.429 1.00 15.00 H new ATOM 0 HG12 VAL A 259 1.597 -4.093 1.548 1.00 15.00 H new ATOM 0 HG13 VAL A 259 1.641 -5.260 2.891 1.00 15.00 H new ATOM 0 HG21 VAL A 259 4.293 -6.531 2.179 1.00 15.00 H new ATOM 0 HG22 VAL A 259 2.813 -7.427 2.598 1.00 15.00 H new ATOM 0 HG23 VAL A 259 3.665 -7.778 1.076 1.00 15.00 H new ATOM 395 N SER A 260 -0.853 -5.634 0.836 1.00 15.00 N ATOM 396 CA SER A 260 -1.863 -4.577 0.763 1.00 15.00 C ATOM 397 C SER A 260 -2.226 -4.142 2.166 1.00 15.00 C ATOM 398 O SER A 260 -2.871 -4.885 2.907 1.00 15.00 O ATOM 399 CB SER A 260 -3.125 -5.003 -0.006 1.00 15.00 C ATOM 400 OG SER A 260 -3.536 -6.309 0.366 1.00 15.00 O ATOM 0 H SER A 260 -1.110 -6.413 1.442 1.00 15.00 H new ATOM 0 HA SER A 260 -1.430 -3.746 0.206 1.00 15.00 H new ATOM 0 HB2 SER A 260 -3.930 -4.295 0.191 1.00 15.00 H new ATOM 0 HB3 SER A 260 -2.929 -4.972 -1.078 1.00 15.00 H new ATOM 0 HG SER A 260 -3.508 -6.395 1.342 1.00 15.00 H new ATOM 406 N THR A 261 -1.788 -2.959 2.543 1.00 15.00 N ATOM 407 CA THR A 261 -1.907 -2.543 3.931 1.00 15.00 C ATOM 408 C THR A 261 -2.053 -1.030 4.081 1.00 15.00 C ATOM 409 O THR A 261 -1.574 -0.262 3.245 1.00 15.00 O ATOM 410 CB THR A 261 -0.704 -3.041 4.758 1.00 15.00 C ATOM 411 OG1 THR A 261 -0.940 -2.804 6.149 1.00 15.00 O ATOM 412 CG2 THR A 261 0.590 -2.357 4.328 1.00 15.00 C ATOM 0 H THR A 261 -1.353 -2.276 1.923 1.00 15.00 H new ATOM 0 HA THR A 261 -2.821 -2.998 4.313 1.00 15.00 H new ATOM 0 HB THR A 261 -0.594 -4.111 4.582 1.00 15.00 H new ATOM 0 HG1 THR A 261 -0.084 -2.676 6.609 1.00 15.00 H new ATOM 0 HG21 THR A 261 1.417 -2.731 4.931 1.00 15.00 H new ATOM 0 HG22 THR A 261 0.782 -2.570 3.276 1.00 15.00 H new ATOM 0 HG23 THR A 261 0.497 -1.280 4.469 1.00 15.00 H new ATOM 420 N TRP A 262 -2.751 -0.614 5.139 1.00 15.00 N ATOM 421 CA TRP A 262 -2.898 0.801 5.464 1.00 15.00 C ATOM 422 C TRP A 262 -1.615 1.367 6.069 1.00 15.00 C ATOM 423 O TRP A 262 -1.380 2.575 6.021 1.00 15.00 O ATOM 424 CB TRP A 262 -4.017 1.023 6.485 1.00 15.00 C ATOM 425 CG TRP A 262 -5.409 0.768 5.998 1.00 15.00 C ATOM 426 CD1 TRP A 262 -6.266 -0.197 6.450 1.00 15.00 C ATOM 427 CD2 TRP A 262 -6.124 1.488 4.986 1.00 15.00 C ATOM 428 NE1 TRP A 262 -7.468 -0.099 5.815 1.00 15.00 N ATOM 429 CE2 TRP A 262 -7.403 0.917 4.908 1.00 15.00 C ATOM 430 CE3 TRP A 262 -5.823 2.562 4.138 1.00 15.00 C ATOM 431 CZ2 TRP A 262 -8.362 1.381 4.038 1.00 15.00 C ATOM 432 CZ3 TRP A 262 -6.803 3.001 3.262 1.00 15.00 C ATOM 433 CH2 TRP A 262 -8.053 2.402 3.238 1.00 15.00 C ATOM 0 H TRP A 262 -3.225 -1.243 5.787 1.00 15.00 H new ATOM 0 HA TRP A 262 -3.132 1.307 4.527 1.00 15.00 H new ATOM 0 HB2 TRP A 262 -3.830 0.379 7.345 1.00 15.00 H new ATOM 0 HB3 TRP A 262 -3.960 2.052 6.839 1.00 15.00 H new ATOM 0 HD1 TRP A 262 -6.025 -0.932 7.203 1.00 15.00 H new ATOM 0 HE1 TRP A 262 -8.282 -0.688 5.990 1.00 15.00 H new ATOM 0 HE3 TRP A 262 -4.853 3.035 4.166 1.00 15.00 H new ATOM 0 HZ2 TRP A 262 -9.342 0.929 4.004 1.00 15.00 H new ATOM 0 HZ3 TRP A 262 -6.590 3.819 2.590 1.00 15.00 H new ATOM 0 HH2 TRP A 262 -8.799 2.773 2.551 1.00 15.00 H new ATOM 444 N HIS A 263 -0.810 0.506 6.682 1.00 15.00 N ATOM 445 CA HIS A 263 0.330 0.975 7.461 1.00 15.00 C ATOM 446 C HIS A 263 1.560 1.145 6.581 1.00 15.00 C ATOM 447 O HIS A 263 1.815 0.341 5.682 1.00 15.00 O ATOM 448 CB HIS A 263 0.634 0.024 8.643 1.00 15.00 C ATOM 449 CG HIS A 263 1.587 -1.101 8.339 1.00 15.00 C ATOM 450 ND1 HIS A 263 1.362 -2.363 7.912 1.00 15.00 N flip ATOM 451 CD2 HIS A 263 2.957 -0.985 8.469 1.00 15.00 C flip ATOM 452 CE1 HIS A 263 2.581 -2.980 7.789 1.00 15.00 C flip ATOM 453 NE2 HIS A 263 3.525 -2.129 8.130 1.00 15.00 N flip ATOM 0 H HIS A 263 -0.923 -0.507 6.656 1.00 15.00 H new ATOM 0 HA HIS A 263 0.067 1.949 7.873 1.00 15.00 H new ATOM 0 HB2 HIS A 263 1.043 0.612 9.464 1.00 15.00 H new ATOM 0 HB3 HIS A 263 -0.305 -0.403 8.994 1.00 15.00 H new ATOM 0 HD2 HIS A 263 3.481 -0.099 8.796 1.00 15.00 H new ATOM 0 HE1 HIS A 263 2.740 -3.998 7.465 1.00 15.00 H new ATOM 0 HE2 HIS A 263 4.527 -2.320 8.132 1.00 15.00 H new ATOM 462 N ASP A 264 2.324 2.185 6.862 1.00 15.00 N ATOM 463 CA ASP A 264 3.595 2.403 6.192 1.00 15.00 C ATOM 464 C ASP A 264 4.564 1.286 6.578 1.00 15.00 C ATOM 465 O ASP A 264 4.694 0.946 7.750 1.00 15.00 O ATOM 466 CB ASP A 264 4.148 3.777 6.578 1.00 15.00 C ATOM 467 CG ASP A 264 5.441 4.127 5.869 1.00 15.00 C ATOM 468 OD1 ASP A 264 6.475 3.500 6.161 1.00 15.00 O ATOM 469 OD2 ASP A 264 5.434 5.053 5.033 1.00 15.00 O1- ATOM 0 H ASP A 264 2.085 2.896 7.553 1.00 15.00 H new ATOM 0 HA ASP A 264 3.460 2.384 5.111 1.00 15.00 H new ATOM 0 HB2 ASP A 264 3.401 4.538 6.352 1.00 15.00 H new ATOM 0 HB3 ASP A 264 4.314 3.804 7.655 1.00 15.00 H new ATOM 474 N PRO A 265 5.228 0.671 5.600 1.00 15.00 N ATOM 475 CA PRO A 265 6.109 -0.468 5.844 1.00 15.00 C ATOM 476 C PRO A 265 7.496 -0.081 6.296 1.00 15.00 C ATOM 477 O PRO A 265 8.273 -0.920 6.753 1.00 15.00 O ATOM 478 CB PRO A 265 6.157 -1.156 4.492 1.00 15.00 C ATOM 479 CG PRO A 265 5.994 -0.049 3.501 1.00 15.00 C ATOM 480 CD PRO A 265 5.156 1.012 4.168 1.00 15.00 C ATOM 0 HA PRO A 265 5.737 -1.092 6.656 1.00 15.00 H new ATOM 0 HB2 PRO A 265 7.101 -1.682 4.348 1.00 15.00 H new ATOM 0 HB3 PRO A 265 5.362 -1.896 4.395 1.00 15.00 H new ATOM 0 HG2 PRO A 265 6.964 0.352 3.207 1.00 15.00 H new ATOM 0 HG3 PRO A 265 5.510 -0.410 2.594 1.00 15.00 H new ATOM 0 HD2 PRO A 265 5.548 2.011 3.975 1.00 15.00 H new ATOM 0 HD3 PRO A 265 4.128 0.997 3.805 1.00 15.00 H new ATOM 488 N ARG A 266 7.819 1.173 6.127 1.00 15.00 N ATOM 489 CA ARG A 266 9.099 1.690 6.541 1.00 15.00 C ATOM 490 C ARG A 266 9.045 2.002 8.018 1.00 15.00 C ATOM 491 O ARG A 266 10.030 2.400 8.638 1.00 15.00 O ATOM 492 CB ARG A 266 9.392 2.940 5.755 1.00 15.00 C ATOM 493 CG ARG A 266 10.848 3.334 5.767 1.00 15.00 C ATOM 494 CD ARG A 266 11.699 2.304 5.049 1.00 15.00 C ATOM 495 NE ARG A 266 12.248 1.303 5.962 1.00 15.00 N ATOM 496 CZ ARG A 266 13.393 0.656 5.754 1.00 15.00 C ATOM 497 NH1 ARG A 266 14.146 0.943 4.697 1.00 15.00 N1+ ATOM 498 NH2 ARG A 266 13.791 -0.265 6.620 1.00 15.00 N ATOM 0 H ARG A 266 7.204 1.866 5.699 1.00 15.00 H new ATOM 0 HA ARG A 266 9.886 0.958 6.359 1.00 15.00 H new ATOM 0 HB2 ARG A 266 9.072 2.794 4.723 1.00 15.00 H new ATOM 0 HB3 ARG A 266 8.799 3.760 6.159 1.00 15.00 H new ATOM 0 HG2 ARG A 266 10.969 4.306 5.289 1.00 15.00 H new ATOM 0 HG3 ARG A 266 11.191 3.440 6.796 1.00 15.00 H new ATOM 0 HD2 ARG A 266 11.098 1.807 4.287 1.00 15.00 H new ATOM 0 HD3 ARG A 266 12.516 2.808 4.532 1.00 15.00 H new ATOM 0 HE ARG A 266 11.722 1.087 6.809 1.00 15.00 H new ATOM 0 HH11 ARG A 266 13.848 1.663 4.039 1.00 15.00 H new ATOM 0 HH12 ARG A 266 15.022 0.443 4.544 1.00 15.00 H new ATOM 0 HH21 ARG A 266 13.221 -0.474 7.440 1.00 15.00 H new ATOM 0 HH22 ARG A 266 14.667 -0.764 6.467 1.00 15.00 H new ATOM 512 N ILE A 267 7.858 1.823 8.543 1.00 15.00 N ATOM 513 CA ILE A 267 7.583 2.061 9.959 1.00 15.00 C ATOM 514 C ILE A 267 8.277 1.014 10.826 1.00 15.00 C ATOM 515 O ILE A 267 7.780 -0.130 10.897 1.00 15.00 O ATOM 516 CB ILE A 267 6.068 2.051 10.273 1.00 15.00 C ATOM 517 CG1 ILE A 267 5.338 3.135 9.475 1.00 15.00 C ATOM 518 CG2 ILE A 267 5.828 2.248 11.766 1.00 15.00 C ATOM 519 CD1 ILE A 267 5.836 4.540 9.747 1.00 15.00 C ATOM 520 OXT ILE A 267 9.316 1.339 11.437 1.00 15.00 O ATOM 0 H ILE A 267 7.048 1.508 8.010 1.00 15.00 H new ATOM 0 HA ILE A 267 7.973 3.053 10.188 1.00 15.00 H new ATOM 0 HB ILE A 267 5.671 1.079 9.979 1.00 15.00 H new ATOM 0 HG12 ILE A 267 5.444 2.922 8.411 1.00 15.00 H new ATOM 0 HG13 ILE A 267 4.274 3.087 9.705 1.00 15.00 H new ATOM 0 HG21 ILE A 267 4.757 2.238 11.967 1.00 15.00 H new ATOM 0 HG22 ILE A 267 6.309 1.443 12.321 1.00 15.00 H new ATOM 0 HG23 ILE A 267 6.247 3.204 12.079 1.00 15.00 H new ATOM 0 HD11 ILE A 267 5.269 5.250 9.144 1.00 15.00 H new ATOM 0 HD12 ILE A 267 5.704 4.775 10.803 1.00 15.00 H new ATOM 0 HD13 ILE A 267 6.893 4.608 9.489 1.00 15.00 H new TER 532 ILE A 267 ATOM 533 N THR B 208 3.090 -0.652 -9.141 1.00 15.00 N ATOM 534 CA THR B 208 2.396 0.463 -9.815 1.00 15.00 C ATOM 535 C THR B 208 0.967 0.059 -10.173 1.00 15.00 C ATOM 536 O THR B 208 0.072 0.900 -10.282 1.00 15.00 O ATOM 537 CB THR B 208 3.150 0.881 -11.087 1.00 15.00 C ATOM 538 OG1 THR B 208 4.559 0.891 -10.830 1.00 15.00 O ATOM 539 CG2 THR B 208 2.714 2.263 -11.551 1.00 15.00 C ATOM 0 HA THR B 208 2.367 1.310 -9.129 1.00 15.00 H new ATOM 0 HB THR B 208 2.919 0.162 -11.873 1.00 15.00 H new ATOM 0 HG1 THR B 208 4.771 0.224 -10.144 1.00 15.00 H new ATOM 0 HG21 THR B 208 3.263 2.534 -12.453 1.00 15.00 H new ATOM 0 HG22 THR B 208 1.645 2.254 -11.766 1.00 15.00 H new ATOM 0 HG23 THR B 208 2.921 2.992 -10.767 1.00 15.00 H new ATOM 549 N SER B 209 0.758 -1.234 -10.367 1.00 15.00 N ATOM 550 CA SER B 209 -0.570 -1.766 -10.598 1.00 15.00 C ATOM 551 C SER B 209 -1.063 -2.480 -9.346 1.00 15.00 C ATOM 552 O SER B 209 -0.437 -3.436 -8.880 1.00 15.00 O ATOM 553 CB SER B 209 -0.547 -2.732 -11.781 1.00 15.00 C ATOM 554 OG SER B 209 0.028 -2.123 -12.925 1.00 15.00 O ATOM 0 H SER B 209 1.498 -1.936 -10.368 1.00 15.00 H new ATOM 0 HA SER B 209 -1.249 -0.946 -10.829 1.00 15.00 H new ATOM 0 HB2 SER B 209 0.021 -3.624 -11.516 1.00 15.00 H new ATOM 0 HB3 SER B 209 -1.562 -3.057 -12.009 1.00 15.00 H new ATOM 0 HG SER B 209 0.033 -2.762 -13.668 1.00 15.00 H new HETATM 560 N SEP B 210 -2.186 -2.027 -8.815 1.00 15.00 N HETATM 561 CA SEP B 210 -2.739 -2.602 -7.607 1.00 15.00 C HETATM 562 CB SEP B 210 -3.451 -1.507 -6.794 1.00 15.00 C HETATM 563 OG SEP B 210 -4.167 -0.644 -7.669 1.00 15.00 O HETATM 564 C SEP B 210 -3.686 -3.745 -7.959 1.00 15.00 C HETATM 565 O SEP B 210 -4.720 -3.555 -8.592 1.00 15.00 O HETATM 566 P SEP B 210 -5.775 -0.391 -7.657 1.00 15.00 P HETATM 567 O1P SEP B 210 -6.020 0.969 -8.147 1.00 15.00 O HETATM 568 O2P SEP B 210 -6.420 -1.356 -8.555 1.00 15.00 O HETATM 569 O3P SEP B 210 -6.284 -0.537 -6.290 1.00 15.00 O HETATM 0 HB3 SEP B 210 -4.135 -1.961 -6.077 1.00 15.00 H new HETATM 0 HB2 SEP B 210 -2.721 -0.935 -6.221 1.00 15.00 H new HETATM 0 HA SEP B 210 -1.937 -3.013 -6.994 1.00 15.00 H new HETATM 0 H SEP B 210 -2.305 -1.032 -9.007 1.00 15.00 H new ATOM 574 N ASP B 211 -3.280 -4.951 -7.592 1.00 15.00 N ATOM 575 CA ASP B 211 -4.129 -6.127 -7.733 1.00 15.00 C ATOM 576 C ASP B 211 -5.275 -6.191 -6.699 1.00 15.00 C ATOM 577 O ASP B 211 -6.272 -6.867 -6.952 1.00 15.00 O ATOM 578 CB ASP B 211 -3.300 -7.414 -7.648 1.00 15.00 C ATOM 579 CG ASP B 211 -2.640 -7.775 -8.962 1.00 15.00 C ATOM 580 OD1 ASP B 211 -3.341 -8.294 -9.855 1.00 15.00 O ATOM 581 OD2 ASP B 211 -1.416 -7.560 -9.105 1.00 15.00 O1- ATOM 0 H ASP B 211 -2.362 -5.143 -7.192 1.00 15.00 H new ATOM 0 HA ASP B 211 -4.587 -6.038 -8.718 1.00 15.00 H new ATOM 0 HB2 ASP B 211 -2.534 -7.297 -6.882 1.00 15.00 H new ATOM 0 HB3 ASP B 211 -3.944 -8.235 -7.332 1.00 15.00 H new ATOM 586 N PRO B 212 -5.172 -5.545 -5.507 1.00 15.00 N ATOM 587 CA PRO B 212 -6.190 -5.631 -4.486 1.00 15.00 C ATOM 588 C PRO B 212 -7.151 -4.444 -4.524 1.00 15.00 C ATOM 589 O PRO B 212 -6.837 -3.383 -5.063 1.00 15.00 O ATOM 590 CB PRO B 212 -5.343 -5.595 -3.225 1.00 15.00 C ATOM 591 CG PRO B 212 -4.307 -4.637 -3.518 1.00 15.00 C ATOM 592 CD PRO B 212 -4.080 -4.682 -5.010 1.00 15.00 C ATOM 0 HA PRO B 212 -6.833 -6.505 -4.586 1.00 15.00 H new ATOM 0 HB2 PRO B 212 -5.932 -5.292 -2.359 1.00 15.00 H new ATOM 0 HB3 PRO B 212 -4.925 -6.576 -2.999 1.00 15.00 H new ATOM 0 HG2 PRO B 212 -4.605 -3.637 -3.202 1.00 15.00 H new ATOM 0 HG3 PRO B 212 -3.391 -4.882 -2.980 1.00 15.00 H new ATOM 0 HD2 PRO B 212 -4.124 -3.686 -5.452 1.00 15.00 H new ATOM 0 HD3 PRO B 212 -3.101 -5.095 -5.253 1.00 15.00 H new ATOM 600 N GLY B 213 -8.304 -4.630 -3.926 1.00 15.00 N ATOM 601 CA GLY B 213 -9.281 -3.571 -3.818 1.00 15.00 C ATOM 602 C GLY B 213 -9.052 -2.770 -2.557 1.00 15.00 C ATOM 603 O GLY B 213 -8.393 -3.256 -1.634 1.00 15.00 O ATOM 0 H GLY B 213 -8.591 -5.513 -3.503 1.00 15.00 H new ATOM 0 HA2 GLY B 213 -9.216 -2.918 -4.688 1.00 15.00 H new ATOM 0 HA3 GLY B 213 -10.286 -3.994 -3.811 1.00 15.00 H new HETATM 607 N SEP B 214 -9.585 -1.561 -2.482 1.00 15.00 N HETATM 608 CA SEP B 214 -9.247 -0.684 -1.375 1.00 15.00 C HETATM 609 CB SEP B 214 -9.348 0.805 -1.767 1.00 15.00 C HETATM 610 OG SEP B 214 -9.171 1.605 -0.640 1.00 15.00 O HETATM 611 C SEP B 214 -10.218 -0.952 -0.232 1.00 15.00 C HETATM 612 O SEP B 214 -11.409 -1.197 -0.447 1.00 15.00 O HETATM 613 P SEP B 214 -9.995 2.956 -0.416 1.00 15.00 P HETATM 614 O1P SEP B 214 -11.330 2.614 0.090 1.00 15.00 O HETATM 615 O2P SEP B 214 -9.258 3.789 0.541 1.00 15.00 O HETATM 616 O3P SEP B 214 -10.125 3.617 -1.721 1.00 15.00 O HETATM 0 HB3 SEP B 214 -8.593 1.045 -2.516 1.00 15.00 H new HETATM 0 HB2 SEP B 214 -10.320 1.006 -2.218 1.00 15.00 H new HETATM 0 HA SEP B 214 -8.217 -0.888 -1.082 1.00 15.00 H new HETATM 0 H SEP B 214 -9.849 -1.165 -3.384 1.00 15.00 H new ATOM 621 N PRO B 215 -9.699 -0.907 1.000 1.00 15.00 N ATOM 622 CA PRO B 215 -10.408 -1.328 2.210 1.00 15.00 C ATOM 623 C PRO B 215 -11.218 -0.213 2.862 1.00 15.00 C ATOM 624 O PRO B 215 -10.867 0.960 2.807 1.00 15.00 O ATOM 625 CB PRO B 215 -9.239 -1.711 3.154 1.00 15.00 C ATOM 626 CG PRO B 215 -8.003 -1.611 2.326 1.00 15.00 C ATOM 627 CD PRO B 215 -8.317 -0.565 1.311 1.00 15.00 C ATOM 0 HA PRO B 215 -11.130 -2.116 1.995 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -9.192 -1.039 4.011 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -9.367 -2.720 3.546 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -7.141 -1.330 2.932 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -7.764 -2.564 1.853 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -8.219 0.444 1.711 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -7.668 -0.626 0.438 1.00 15.00 H new ATOM 635 N PHE B 216 -12.316 -0.603 3.488 1.00 15.00 N ATOM 636 CA PHE B 216 -13.166 0.335 4.206 1.00 15.00 C ATOM 637 C PHE B 216 -12.986 0.139 5.706 1.00 15.00 C ATOM 638 O PHE B 216 -13.704 0.722 6.516 1.00 15.00 O ATOM 639 CB PHE B 216 -14.633 0.130 3.817 1.00 15.00 C ATOM 640 CG PHE B 216 -14.893 0.285 2.342 1.00 15.00 C ATOM 641 CD1 PHE B 216 -14.857 -0.814 1.499 1.00 15.00 C ATOM 642 CD2 PHE B 216 -15.169 1.530 1.800 1.00 15.00 C ATOM 643 CE1 PHE B 216 -15.092 -0.675 0.145 1.00 15.00 C ATOM 644 CE2 PHE B 216 -15.404 1.677 0.445 1.00 15.00 C ATOM 645 CZ PHE B 216 -15.366 0.572 -0.383 1.00 15.00 C ATOM 0 H PHE B 216 -12.642 -1.569 3.514 1.00 15.00 H new ATOM 0 HA PHE B 216 -12.879 1.352 3.940 1.00 15.00 H new ATOM 0 HB2 PHE B 216 -14.947 -0.866 4.130 1.00 15.00 H new ATOM 0 HB3 PHE B 216 -15.248 0.845 4.363 1.00 15.00 H new ATOM 0 HD1 PHE B 216 -14.643 -1.791 1.906 1.00 15.00 H new ATOM 0 HD2 PHE B 216 -15.201 2.397 2.444 1.00 15.00 H new ATOM 0 HE1 PHE B 216 -15.062 -1.540 -0.500 1.00 15.00 H new ATOM 0 HE2 PHE B 216 -15.617 2.653 0.035 1.00 15.00 H new ATOM 0 HZ PHE B 216 -15.550 0.683 -1.441 1.00 15.00 H new ATOM 655 N GLN B 217 -12.001 -0.675 6.060 1.00 15.00 N ATOM 656 CA GLN B 217 -11.720 -0.998 7.447 1.00 15.00 C ATOM 657 C GLN B 217 -10.218 -1.147 7.643 1.00 15.00 C ATOM 658 O GLN B 217 -9.706 -0.736 8.706 1.00 15.00 O ATOM 659 CB GLN B 217 -12.452 -2.280 7.861 1.00 15.00 C ATOM 660 CG GLN B 217 -12.181 -3.470 6.952 1.00 15.00 C ATOM 661 CD GLN B 217 -13.014 -4.680 7.320 1.00 15.00 C ATOM 662 OE1 GLN B 217 -14.128 -4.852 6.828 1.00 15.00 O ATOM 663 NE2 GLN B 217 -12.482 -5.533 8.181 1.00 15.00 N ATOM 664 OXT GLN B 217 -9.549 -1.633 6.711 1.00 15.00 O ATOM 0 H GLN B 217 -11.377 -1.128 5.393 1.00 15.00 H new ATOM 0 HA GLN B 217 -12.080 -0.188 8.081 1.00 15.00 H new ATOM 0 HB2 GLN B 217 -12.161 -2.540 8.879 1.00 15.00 H new ATOM 0 HB3 GLN B 217 -13.524 -2.085 7.877 1.00 15.00 H new ATOM 0 HG2 GLN B 217 -12.389 -3.190 5.919 1.00 15.00 H new ATOM 0 HG3 GLN B 217 -11.124 -3.731 7.005 1.00 15.00 H new ATOM 0 HE21 GLN B 217 -11.555 -5.356 8.568 1.00 15.00 H new ATOM 0 HE22 GLN B 217 -12.999 -6.367 8.458 1.00 15.00 H new TER 673 GLN B 217